Chemical Properties of Neburon, HFBA

InChI

InChI=1S/C16H15Cl2F7N2O2/c1-3-4-7-26(2)13(29)27(9-5-6-10(17)11(18)8-9)12(28)14(19,20)15(21,22)16(23,24)25/h5-6,8H,3-4,7H2,1-2H3

InChI Key

SIDAPOKJEUPPHI-UHFFFAOYSA-N

Formula

C16H15Cl2F7N2O2

SMILES

CCCCN(C)C(=O)N(C(=O)C(F)(F)C(F)(F)C(F)(F)F)c1ccc(Cl)c(Cl)c1

Molecular Weight¹

471.20

• C_p,gas : Ideal gas heat capacity (J/mol×K).
• Δ_fG° : Standard Gibbs free energy of formation (kJ/mol).
• Δ_fH°_gas : Enthalpy of formation at standard conditions (kJ/mol).
• Δ_fusH° : Enthalpy of fusion at standard conditions (kJ/mol).
• Δ_vapH° : Enthalpy of vaporization at standard conditions (kJ/mol).
• log₁₀WS : Log10 of Water solubility in mol/l.
• logP_oct/wat : Octanol/Water partition coefficient.
• McVol : McGowan's characteristic volume (ml/mol).
• P_c : Critical Pressure (kPa).
• I_np : Non-polar retention indices.
• T_boil : Normal Boiling Point Temperature (K).
• T_c : Critical Temperature (K).
• T_fus : Normal melting (fusion) point (K).
• V_c : Critical Volume (m³/kmol).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ΔfG°	-1238.30	kJ/mol	Joback Calculated Property
ΔfH°gas	-1680.58	kJ/mol	Joback Calculated Property
ΔfusH°	47.41	kJ/mol	Joback Calculated Property
ΔvapH°	71.55	kJ/mol	Joback Calculated Property
log10WS	-6.49		Crippen Calculated Property
logPoct/wat	6.011		Crippen Calculated Property
McVol	272.510	ml/mol	McGowan Calculated Property
Pc	1410.13	kPa	Joback Calculated Property
Inp	[1770.00; 1770.00]
Inp	1770.00		NIST
Inp	1770.00		NIST
Tboil	794.80	K	Joback Calculated Property
Tc	985.49	K	Joback Calculated Property
Tfus	557.57	K	Joback Calculated Property
Vc	1.062	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[785.04; 841.20]	J/mol×K	[794.80; 985.49]
Cp,gas	785.04	J/mol×K	794.80	Joback Calculated Property
Cp,gas	796.11	J/mol×K	826.58	Joback Calculated Property
Cp,gas	806.37	J/mol×K	858.36	Joback Calculated Property
Cp,gas	815.92	J/mol×K	890.14	Joback Calculated Property
Cp,gas	824.85	J/mol×K	921.93	Joback Calculated Property
Cp,gas	833.24	J/mol×K	953.71	Joback Calculated Property
Cp,gas	841.20	J/mol×K	985.49	Joback Calculated Property

Similar Compounds

Find more compounds similar to Neburon, HFBA.

Sources

• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook

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